2-Methylhexane Structure

2-Methylhexane

Chemical Properties

Melting point -118 °C
Boiling point 90 °C(lit.)
Density  0.679 g/mL at 25 °C(lit.)
vapor pressure  2.27 psi ( 37.7 °C)
refractive index  n20/D 1.384(lit.)
Flash point 25 °F
storage temp.  Flammables area
solubility  Soluble in acetone, alcohol, benzene, chloroform, ligroin, and ether (Weast, 1986). Miscible with liquid aliphatic hydrocarbons.
form  Liquid
color  Clear colorless
explosive limit ~7%
Water Solubility  3.8 mg/L at 23 °C (Coates et al., 1985)
2.54 mg/kg at 25 °C (shake flask-GLC, Price, 1976)
Thermal Conductivity 0.1105 W/(m·K) at 25 ℃
Specific Heat Capacity Cp(liquid): 2.22 J/(g·K), at 25℃
BRN  1696856
Henry's Law Constant 0.512 atmm3/mol at 26.9 °C, 0.311 at 35.0 °C, 0.256 at 45.0 °C (dynamic headspace, Hansen et al., 1995)
Exposure limits TLV-TWA: 200 ppm; TLV-STEL: 400 ppm
Dielectric constant 1.9(20℃)
InChI 1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
InChIKey GXDHCNNESPLIKD-UHFFFAOYSA-N
SMILES CCCCC(C)C
LogP 4.118 (est)
CAS DataBase Reference 591-76-4(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances 2-METHYLHEXANE
FDA 21 CFR 175.105
FDA UNII YI4679P2SP
EPA Substance Registry System 2-Methylhexane (591-76-4)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
Signal wordDanger
Hazard statements H315-H319-H336-H304-H410-H225
Precautionary statements P501-P273-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
Hazard Codes  F,Xn,N
Risk Statements  11-38-50/53-65-67
Safety Statements  9-16-29-33-60-61-62
RIDADR  UN 3295 3/PG 2
WGK Germany  3
RTECS  MO3871500
Autoignition Temperature 536 °F
TSCA  TSCA listed
HazardClass  3.1
PackingGroup  II
HS Code  29011000
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
3
0 0

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2-Methylhexane Chemical Properties,Usage,Production

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